CHEMBL1627305


SMILES O=C(NCCC(O)CN1CCN(c2cccc(Cl)c2Cl)CC1)c1cc2ccccc2[nH]1
InChIKey NABHHUMHJIHHIX-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 4
Hydrogen bond donors 3
Rotatable bonds 7
Molecular weight (Da) 460.1

Drug properties

Molecular type Small molecule
Physiological/Surrogate Surrogate
Approved drug No

Database connections

Bioactivities

Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
D4 DRD4 Human Dopamine A pKi 5.31 5.49 5.58 ChEMBL
D1 DRD1 Human Dopamine A pKi 5.33 5.33 5.33 ChEMBL
5-HT2C 5HT2C Human 5-Hydroxytryptamine A pKi 7.07 7.07 7.07 ChEMBL
D3 DRD3 Human Dopamine A pKi 7.78 8.7 9.05 ChEMBL
5-HT2A 5HT2A Human 5-Hydroxytryptamine A pKi 7.32 7.32 7.32 ChEMBL
5-HT1A 5HT1A Human 5-Hydroxytryptamine A pKi 6.98 6.99 7.0 ChEMBL
D2 DRD2 Human Dopamine A pKi 6.12 6.13 6.13 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
D3 DRD3 Human Dopamine A pIC50 6.3 7.11 7.52 ChEMBL
D2 DRD2 Human Dopamine A pIC50 5.36 5.36 5.36 ChEMBL
D2 DRD2 Human Dopamine A pEC50 6.77 6.77 6.77 ChEMBL